[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C14H21N3O3 — CID 61315301

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(OC(=O)c1cc(N)cn1C(C)C)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-8(2)17-7-10(15)6-12(17)14(19)20-9(3)13(18)16-11-4-5-11/h6-9,11H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyHMDFKAUGIGHFRS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.48
Rot. Bonds5

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 61315301) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID61315301
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(OC(=O)c1cc(N)cn1C(C)C)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O3/c1-8(2)17-7-10(15)6-12(17)14(19)20-9(3)13(18)16-11-4-5-11/h6-9,11H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyHMDFKAUGIGHFRS-UHFFFAOYSA-N
XLogP1.48
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64738703
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
(2-oxooxolan-3-yl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61317213
4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61139289
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7284564
4-amino-N-(3,5-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64733030
(4-ethylcyclohexyl) 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 64776292
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 61315301) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(OC(=O)c1cc(N)cn1C(C)C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is HMDFKAUGIGHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)17-7-10(15)6-12(17)14(19)20-9(3)13(18)16-11-4-5-11/h6-9,11H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 61315301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).